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3,5-Dimethyl-1,2,4-trithiolane
PHCD compound ID : 4285
Chemical Names :
3,5-Dimethyl-1,2,4-trithiolane
Molecular Formula : C4H8S3
Molecular Weight : 151.978813
More Details :
Names & Synonyms: 3,5-dimethyl-1,2,4-trithiolane
Smiles: C[C@@H]1SS[C@H](S1)C
InChi : InChI=1S/C4H8S3/c1-3-5-4(2)7-6-3/h3-4H,1-2H3/t3-,4-/m0/s1
InChi Key : InChIKey=HFRUNLRFNNTTPQ-IMJSIDKUSA-N
PubChem ID : 32033
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.634553
Hydrogen bond donor count : 0 Electric dipole moment : 0.939
XLogP : 2.075 VDW volume : 120.911011
Molecular weight : 151.978813 HOMO-LUMO gap : 7.452000
Herb list :
Refrences & Litretures:
  
618.      Journal:'Chemistry of Natural Compounds'      Year:'2012'      Volume:'48'      Page:'506'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OIL OF Urtica dioica'
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